Crystallography Open Database

Information card for entry 7058130

Preview

Coordinates	7058130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N2 O8 Zn
Calculated formula	C20 H17 N2 O8 Zn
Title of publication	Bifunctional photo- and vapochromic behaviors of a novel porous zwitterionic metal‒organic framework
Authors of publication	Li, Li; Hua, Yang; Guo, Yu; Wang, Hai-Yu; Li, Xiao-Nan; Zhang, Hong
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	8
Pages of publication	3428
a	12.7736 ± 0.0012 Å
b	14.112 ± 0.0014 Å
c	12.1366 ± 0.0012 Å
α	90°
β	114.364 ± 0.002°
γ	90°
Cell volume	1992.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224754 (current)	2019-11-08	cif/ Updating files of 7058130 Original log message: Adding full bibliography for 7058130.cif.	7058130.cif
213310	2019-01-25	cif/ Adding structures of 7058130 via cif-deposit CGI script.	7058130.cif